8002-2978 Screening compound: 5-{[(4-methoxy-3-nitrobenzoyl)oxy]imino}-3-methyl-5,6,7,8-tetrahydro-2-naphthalenyl 4-methoxy-3-nitrobenzoate

8002-2978 Screening compound: 5-{[(4-methoxy-3-nitrobenzoyl)oxy]imino}-3-methyl-5,6,7,8-tetrahydro-2-naphthalenyl 4-methoxy-3-nitrobenzoate
8002-2978 Screening compound: 5-{[(4-methoxy-3-nitrobenzoyl)oxy]imino}-3-methyl-5,6,7,8-tetrahydro-2-naphthalenyl 4-methoxy-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-2978
5-{[(4-methoxy-3-nitrobenzoyl)oxy]imino}-3-methyl-5,6,7,8-tetrahydro-2-naphthalenyl 4-methoxy-3-nitrobenzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8002-2978

Molecular Formula

C27H23N3O10 (C27 H23 N3 O10)

Compound Name

5-{[(4-methoxy-3-nitrobenzoyl)oxy]imino}-3-methyl-5,6,7,8-tetrahydro-2-naphthalenyl 4-methoxy-3-nitrobenzoate

IUPAC name

n/a

SMILES

Cc1cc(/C(/CCC2)=N/OC(c(cc3)cc([N+]([O-])=O)c3OC)=O)c2cc1OC(c(cc1)cc([N+]([O-])=O)c1OC)=O

InChI

InChI=1S/C27H23N3O10/c1-15-11-19-16(14-25(15)39-26(31)17-7-9-23(37-2)21(12-17)29(33)34)5-4-6-20(19)28-40-27(32)18-8-10-24(38-3)22(13-18)30(35)36/h7-14H,4-6H2,1-3H3

InChI Key

ZTYHMKZHHOFWBJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.49

Hydrogen Bond Acceptors Count

17.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.66

Polar Surface Area

133.369

Acid Dissociation Constant (pKa)

22.22

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8002-2978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-2978?
Check Price and Availability of 8002-2978, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8002-2978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-2978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-2978
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8002-2978 available by request